Crystallography Open Database

Information card for entry 1563446

Preview

Coordinates	1563446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K0.5 Na0.5 Nb O3
Calculated formula	K0.5 Na0.48 Nb O3
Title of publication	Structural evolution of Na0.5K0.5NbO3 at high temperatures
Authors of publication	Ishizawa, Nobuo; Wang, Jun; Sakakura, Terutoshi; Inagaki, Yumi; Kakimoto, Ken-ichi
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	11
Pages of publication	2731 - 2738
a	3.99279 ± 0.00008 Å
b	3.99279 ± 0.00008 Å
c	3.99279 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	63.655 ± 0.002 Å³
Cell temperature	669 K
Ambient diffraction temperature	669 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	1.547
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266468 (current)	2021-06-15	cif/ Adding structures of 1563426, 1563427, 1563428, 1563429, 1563430, 1563431, 1563432, 1563433, 1563434, 1563435, 1563436, 1563437, 1563438, 1563439, 1563440, 1563441, 1563442, 1563443, 1563444, 1563445, 1563446, 1563447, 1563448, 1563449, 1563450, 1563451, 1563452, 1563453, 1563454, 1563455, 1563456, 1563457, 1563458, 1563459, 1563460, 1563461, 1563462, 1563463, 1563464, 1563465, 1563466, 1563467, 1563468, 1563469, 1563470, 1563471, 1563472, 1563473, 1563474, 1563475, 1563476, 1563477, 1563478, 1563479, 1563480 via cif-deposit CGI script.	1563446.cif